Information card for entry 2227514

Structure parameters

• Chemical name: Ethyl 5-amino-1-(6-chloropyridazin-3-yl)-1<i>H</i>-pyrazole-4-carboxylate
• Formula: C10 H10 Cl N5 O2
• Calculated formula: C10 H10 Cl N5 O2
• SMILES: Clc1nnc(n2ncc(c2N)C(=O)OCC)cc1
• Title of publication: Ethyl 5-amino-1-(6-chloropyridazin-3-yl)-1<i>H</i>-pyrazole-4-carboxylate
• Authors of publication: Ather, Abdul Qayyum; Tahir, M. Nawaz; Khan, Misbahul Ain; Athar, Muhammad Makshoof; Bueno, Eliana Aparecida Silicz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2445
• a: 5.3618 ± 0.0003 Å
• b: 8.6168 ± 0.0004 Å
• c: 13.1585 ± 0.0007 Å
• α: 77.734 ± 0.002°
• β: 82.928 ± 0.001°
• γ: 86.722 ± 0.002°
• Cell volume: 589.24 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes